4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide

C21H23FN2O3 — CID 70229357

IUPAC4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide
SMILESNC(=O)c1ccc(OCC(O)CN2CC=C(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O3/c22-20-4-2-1-3-19(20)15-9-11-24(12-10-15)13-17(25)14-27-18-7-5-16(6-8-18)21(23)26/h1-9,17,25H,10-14H2,(H2,23,26)
InChIKeyHWEYDEHBBLMSIY-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.45
Rot. Bonds7

About 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide

4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide (PubChem CID 70229357) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide
PubChem CID70229357
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide
SMILESNC(=O)c1ccc(OCC(O)CN2CC=C(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O3/c22-20-4-2-1-3-19(20)15-9-11-24(12-10-15)13-17(25)14-27-18-7-5-16(6-8-18)21(23)26/h1-9,17,25H,10-14H2,(H2,23,26)
InChIKeyHWEYDEHBBLMSIY-UHFFFAOYSA-N
XLogP2.45
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide
CID 86969635
1-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 16800906
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
1-(2-methylphenoxy)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 21465447
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2147530
1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
CID 71605093
4-[2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxoethyl]benzamide
CID 166225749
4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxypropoxy]benzamide
CID 3593511
[4-[(2S)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-(4-chlorophenyl)methanone
CID 28822766
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide?
The IUPAC name of 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide (CID 70229357) is 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide.
What is the SMILES notation for 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide?
The canonical SMILES for 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide is NC(=O)c1ccc(OCC(O)CN2CC=C(c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide?
The InChIKey is HWEYDEHBBLMSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-20-4-2-1-3-19(20)15-9-11-24(12-10-15)13-17(25)14-27-18-7-5-16(6-8-18)21(23)26/h1-9,17,25H,10-14H2,(H2,23,26).
What are the key properties of 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide?
4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide has a molecular weight of 370.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide is sourced from PubChem (CID 70229357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).